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Tb8Dy6Cd

Alexandria ALEX

Alex-ID: agm006016380 · Space group: P-3 (#147)

Alexandria Database API

Basic Information

Formula
Tb8Dy6Cd
Alex-ID
agm006016380
Elements
3
Sites
15
Space group
P-3 (#147)
Crystal system
trigonal
Volume
477.07
ų
Cell a
6.2692
Å
Cell b
9.3739
Å
Cell c
9.3739
Å
α angle
120.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb8Dy6Cd
Tb
8.00 · 53.3%
Dy
6.00 · 40.0%
Cd
1.00 · 6.7%

Energy & Stability

Energy above hull
0.1484
eV/atom
Formation energy
0.1007
eV/atom
Corrected total energy
-64.0934
eV
Raw total energy
-64.0934
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0024
eV
DOS at Fermi level
19.3794
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB6C8_77_spg147

Decomposition

TbDy5 TbDyCd Tb5Dy

Computed at

2023-08-31 02:11:47.144829

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006016380).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX 
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# CIF generated by HEAS from Alexandria entry agm006016380
data_agm006016380
_cell_length_a     6.26917
_cell_length_b     9.37394
_cell_length_c     9.37394
_cell_angle_alpha  120.00000
_cell_angle_beta   90.00001
_cell_angle_gamma  90.00000
_cell_volume       477.07357
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Tb1 Tb 0.81008 0.04058 0.26574 1.00000
  Tb2 Tb 0.81008 0.73426 0.77484 1.00000
  Tb3 Tb 0.81008 0.22516 0.95942 1.00000
  Tb4 Tb 0.18992 0.95942 0.73426 1.00000
  Tb5 Tb 0.18992 0.26574 0.22516 1.00000
  Tb6 Tb 0.18992 0.77484 0.04058 1.00000
  Tb7 Tb 0.81311 0.33333 0.66667 1.00000
  Tb8 Tb 0.18689 0.66667 0.33333 1.00000
  Dy1 Dy 0.68551 0.63819 0.09346 1.00000
  Dy2 Dy 0.68551 0.90654 0.54473 1.00000
  Dy3 Dy 0.68551 0.45527 0.36181 1.00000
  Dy4 Dy 0.31449 0.36181 0.90654 1.00000
  Dy5 Dy 0.31449 0.09346 0.45527 1.00000
  Dy6 Dy 0.31449 0.54473 0.63819 1.00000
  Cd1 Cd 0.50000 0.00000 0.00000 1.00000
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